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1.
The incorporation of explicit ions to mimic the effect of ionic strength or to neutralize the overall charge on a system in free energy calculations using molecular dynamics simulations is investigated. The difference in the free energy of hydration between two triosephosphate isomerase inhibitors calculated at five different ion concentrations is used as an example. We show that the free energy difference can be highly sensitive to the presence of explicit ions even in cases where the mutation itself does not involve a change in the overall charge. The effect is most significant if the molecule carries a net charge close to the site mutated. Furthermore, it is shown that the introduction of a small number of ions can lead to very severe sampling problems suggesting that in practical calculations convergence can best be achieved by incorporating either no counterions or by simulating at high ionic strength to ensure sufficient sampling of the ion distribution. 相似文献
2.
Emmanuel Burgos 《Tetrahedron letters》2004,45(17):3465-3469
4-deoxy-4-Phosphonomethyl-d-erythronate, an isosteric and hydrolytically stable analogue of the known ribose-5-phosphate isomerase inhibitor 4-deoxy-4-phospho-d-erythronate, was obtained by a 14-step synthesis from d-arabinose through an highly improved synthesis of the precursor 5-deoxy-5-phosphonomethyl-d-arabinose. The title compound appears as the first stable and potent competitive inhibitor of the enzyme catalyzed isomerization of ribose-5-phosphate to d-ribulose-5-phosphate (Ki=74 μM, Km/Ki=100), exhibiting only a 3-fold weaker inhibitory activity than its phosphate analogue. 相似文献
3.
The thermodynamics of the conversion of aqueous glucose to fructose has been investigated using both heat conduction microcalorimetry
and high pressure liquid chromatography (HPLC). The reaction was carried out in both aqueous Tris/HCl buffer and in aqueous
phosphate buffer in the pH range 7–8 using the enzyme glucose isomerase and the cofactors CoCl2 and MgSO4. The temperature range over which this reaction was investigated was 298.15–358.15 K. We have found that the enthalpy of
reaction is independent of pH over the range investigated. A combined analysis of both the HPLC and microcalorimetric data
leads to the following results at 298 15 K:ΔG° = 349 ± 53 J mol-1, ΔH° = 2.78 ± 0.20 kJ mol-1, and ΔC
p
°
= 76 ± 30 J mol-1 K-1. The stated uncertainties are based upon an analysis of both the random and systematic errors inherent in the measurements.
Comparisons are made with literature data. The percent conversion of glucose to fructose has been calculated for the temperature
range 300–373.15 K. 相似文献
4.
Silva Silvio S. Ribeiro JoÃo D. Felipe Maria G. A. Vitolo Michelle 《Applied biochemistry and biotechnology》1997,(1):557-564
Batch fermentations of sugar cane bagasse hemicellulosic hydrolysate treated for removing the inhibitors of the fermentation
were performed byCandida guilliermondii FTI20037 for xylitol production. The fermentative parameters agitation and aeration rate were studied aiming the maximization
of xylitol production from this agroindustrial residue. The maximal xylitol volumetric productivity (0.87 g/L h) and yield
(0.67 g/g) were attained at 400/min and 0.45 v.v.m. (KLa 27/h). According to the results, a suitable control of the oxygen input permitting the xylitol formation from sugar cane
bagasse hydrolysate is required for the development of an efficient fermentation process for large-scale applications. 相似文献
5.
The solubility of the nucleic acid bases, adenine and thymine, in aqueous erythritol, xylose, glucose, and sucrose solutions has been studied. The solubility of adenine increases linearly with glucose and sucrose concentration, whereas with the other reagents a nonlinear increase is observed. Below 1.5M reagent concentration, the solubility of adenine increases in the order erythritol < robose, xylose < glucose < sucrose. The solubility of thymine in these solutions, on the other hand, decreases, increases, or does not change depending upon the reagent. The effect of temperature on the solubility of adenine and thymine in sugar solution indicates that the transfer of these molecules from water to sugar solution is exothermic.Presented in part at the VIIth All-India Symposium in Biophysics held at Visva Bharati University during October 1976. 相似文献
6.
Xylan is the major component of hemicellulose, which consists of up to one-third of the lignocellulosic biomass. When the
zinc chloride solution was used as a pretreatment agent to facilitate cellulose hydrolysis, hemicellulose was hydrolyzed during
the pretreatment stage. In this study, xylan was used as a model to study the hydrolysis of hemicellulose in zinc chloride
solution. The degradation of xylose that is released from xylan was reduced by the formation of zinc-xylose complex. The xylose
yield was >90% (w/w) at 70°C. The yield and rate of hydrolysis were a function of temperature and the concentration of zinc
chloride. The ratio of zinc chloride can be decreased from 9 to 1.3 (w/w). At this ratio, 76% of xylose yield was obtained.
When wheat straw was pretreated with a concentrated zinc chloride solution, the hemicellulose hydrolysate contained only xylose
and trace amounts of arabinose and oligosaccharides. With this approach, the hemicellulose hydrolysate can be separated from
cellulose residue, which would be hydrolyzed subsequently to glucose by acid or enzymes to produce glucose. This production
scheme provided a method to produce glucose and xylose in different streams, which can be fermented in separated fermenters. 相似文献
7.
Molecular chaperones, folding catalysts, and the recovery of active recombinant proteins fromE. coli
Jeffrey G. Thomas Amanda Ayling François Baneyx 《Applied biochemistry and biotechnology》1997,66(3):197-238
The high-level expression of recombinant gene products in the gramnegative bacteriumEscherichia coli often results in the misfolding of the protein of interest and its subsequent degradation by cellular proteases or its deposition
into biologically inactive aggregates known as inclusion bodies. It has recently become clear that in vivo protein folding
is an energy-dependent process mediated by two classes of folding modulators. Molecular chaperones, such as the DnaK-DnaJ-GrpE
and GroEL-GroES systems, suppress off-pathway aggregation reactions and facilitate proper folding through ATP-coordinated
cycles of binding and release of folding intermediates. On the other hand, folding catalysts (foldases) accelerate rate-limiting
steps along the protein folding pathway such as thecis/trans isomerization of peptidyl-prolyl bonds and the formation and reshuffling of disulfide bridges. Manipulating the cytoplasmic
folding environment by increasing the intracellular concentration of all or specific folding modulators, or by inactivating
genes encoding these proteins, holds great promise in facilitating the production and purification of heterologous proteins.
Purified folding modulators and artificial systems that mimic their mode of action have also proven useful in improving the
in vitro refolding yields of chemically denatured polypeptides. This review examines the usefulness and limitations of molecular
chaperones and folding catalysts in both in vivo and in vitro folding processes. 相似文献
8.
Francisco M. Gírio Fátima Pelica M. T. Amaral-Collaço 《Applied biochemistry and biotechnology》1996,56(1):79-87
The xylitol dehydrogenase (EC 1.1.1.9) from xylose-grown cells ofDebaryomyces hansenii was partially purified in two Chromatographic steps, and characterization studies were carried out in order to inves tigate
the role of the xylitol dehydrogenase-catalyzed step in the regu lation of D-xylose metabolism. The enzyme was most active
at pH 9.0–9.5, and exhibited a broad polyol specificity. The Michaelis con stants for xylitol and NAD+ were 16.5 and 0.55 mM, respectively. Ca2+, Mg2+, and Mn2+ did not affect the enzyme activity. Conversely, Zn2+, Cd2+, and Co2+ strongly inhibited the enzyme activity. It was concluded that NAD+-xylitol dehydrogenase from D.hansenii has similarities with other xylose-fermenting yeasts in respect to optimal pH, substrate specificity, and Km value for xylitol, and therefore should be named L-iditol:NAD+-5-oxidoreductase (EC 1.1.1.14). The reason D.hansenii is a good xylitol producer is not because of its value of Km for xylitol, which is low enough to assure its fast oxidation by NAD+ xylitol dehydrogenase. However, a higher Km value of xylitol dehydro genase for NAD+ compared to theK
m
values of other xylose-ferment ing yeasts may be responsible for the higher xylitol yields. 相似文献
9.
10.
A series of alkyl triazole glycoside surfactants, ATGs, differing in the length of the alkyl linker between the sugar and the triazole, was synthesized and investigated on their surfactant properties and phase behavior in water. The results indicate no significant impact of the linker on surface and interphase properties, whereas the phase behavior is affected. Higher affinity for the bicontinuous cubic phase potentially favors methylene-linked ATGs over higher homologs for drug-delivery applications. A comparison of glucose and xylose reveals a tendency for high Krafft points for propargyl xyloside based ATGs. This disfavors these surfactants with respect to both glucose analogs and higher homologs. 相似文献